5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde

C11H9NOS — CID 12904582

IUPAC5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccnc2)s1
InChIInChI=1S/C11H9NOS/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h1-5,7-8H,6H2
InChIKeyNLCRVQSFQPEPJW-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.55
Rot. Bonds3

About 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde

5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde (PubChem CID 12904582) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde
PubChem CID12904582
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccnc2)s1
InChIInChI=1S/C11H9NOS/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h1-5,7-8H,6H2
InChIKeyNLCRVQSFQPEPJW-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[5-(pyridin-3-ylmethyl)thiophen-2-yl]prop-2-enoic acid;hydrochloride
CID 70505368
5-(pyridin-3-ylmethyl)thiophen-2-amine
CID 131279369
3-benzylpyridine;formic acid
CID 174503454
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde
CID 23130549
5-(pyridin-3-ylmethyl)thiophen-3-amine
CID 82375068
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
CID 66148661
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 46997748
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
sodium 2-(pyridin-3-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate
CID 23676949

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde (CID 12904582) is 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde is O=Cc1ccc(Cc2cccnc2)s1.
What is the InChIKey of 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde?
The InChIKey is NLCRVQSFQPEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-8-11-4-3-10(14-11)6-9-2-1-5-12-7-9/h1-5,7-8H,6H2.
What are the key properties of 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde?
5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 12904582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).